6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanenitrile

C17H32N2O — CID 64746747

IUPAC6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanenitrile
SMILESCCNC(C)(C#N)CCCCOC1CCC(C)C(C)C1
InChIInChI=1S/C17H32N2O/c1-5-19-17(4,13-18)10-6-7-11-20-16-9-8-14(2)15(3)12-16/h14-16,19H,5-12H2,1-4H3
InChIKeyXNEFMGHUULYVAR-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.89
Rot. Bonds8

About 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanenitrile

6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanenitrile (PubChem CID 64746747) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanenitrile.

Molecular Properties

Compound Name6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanenitrile
PubChem CID64746747
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanenitrile
SMILESCCNC(C)(C#N)CCCCOC1CCC(C)C(C)C1
InChIInChI=1S/C17H32N2O/c1-5-19-17(4,13-18)10-6-7-11-20-16-9-8-14(2)15(3)12-16/h14-16,19H,5-12H2,1-4H3
InChIKeyXNEFMGHUULYVAR-UHFFFAOYSA-N
XLogP3.89
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide
CID 64746944
6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine
CID 106708691
3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile
CID 64746571
4-(3,4-dimethylcyclohexyl)oxybutanenitrile
CID 64744374
6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide
CID 106712451
5-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentanenitrile
CID 66225414
2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile
CID 104564868
2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile
CID 103284800
4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile
CID 64746746
methyl 5-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)pentanoate
CID 64746965
2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile
CID 64746560
2-(cyclopropylmethylamino)-2-methylheptanenitrile
CID 80557594

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanenitrile?
The IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanenitrile (CID 64746747) is 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanenitrile.
What is the SMILES notation for 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanenitrile?
The canonical SMILES for 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanenitrile is CCNC(C)(C#N)CCCCOC1CCC(C)C(C)C1.
What is the InChIKey of 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanenitrile?
The InChIKey is XNEFMGHUULYVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-5-19-17(4,13-18)10-6-7-11-20-16-9-8-14(2)15(3)12-16/h14-16,19H,5-12H2,1-4H3.
What are the key properties of 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanenitrile?
6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanenitrile has a molecular weight of 280.46 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanenitrile is sourced from PubChem (CID 64746747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).